N-(3,3-dimethylbutan-2-yl)-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-(3,3-dimethylbutan-2-yl)-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(1,2,2-trimethylpropyl)quinoline-4-carboxamide CAS Name: N-(3,3-dimethylbutan-2-yl)-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(3,3-dimethylbutan-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-(1,2,2-trimethylpropyl)cinchoninamide Formula: C27H34N4O MolecularWeight: 430.58506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(C)(C)C)NC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O/c1-20(27(2,3)4)28-26(32)23-18-25(29-24-13-9-8-12-22(23)24)31-16-14-30(15-17-31)19-21-10-6-5-7-11-21/h5-13,18,20H,14-17,19H2,1-4H3,(H,28,32)